(2-phenethyloxycarbonylphenyl) 5-bromanyl-2-butoxy-benzoate

Systemtic Name: (2-phenethyloxycarbonylphenyl) 5-bromanyl-2-butoxy-benzoate Openeye Name: (2-phenethyloxycarbonylphenyl) 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [2-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (2-phenethyloxycarbonylphenyl) 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid (2-phenethyloxycarbonylphenyl) ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC=C2C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC=C2C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrO5/c1-2-3-16-30-23-14-13-20(27)18-22(23)26(29)32-24-12-8-7-11-21(24)25(28)31-17-15-19-9-5-4-6-10-19/h4-14,18H,2-3,15-17H2,1H3